2-methyl-3-(2,3,4-trifluoroanilino)propanamide

C10H11F3N2O — CID 43312047

IUPAC2-methyl-3-(2,3,4-trifluoroanilino)propanamide
SMILESCC(CNc1ccc(F)c(F)c1F)C(N)=O
InChIInChI=1S/C10H11F3N2O/c1-5(10(14)16)4-15-7-3-2-6(11)8(12)9(7)13/h2-3,5,15H,4H2,1H3,(H2,14,16)
InChIKeyNPWIUKOYFYBAMJ-UHFFFAOYSA-N
MW232.20 g/mol
LogP1.64
Rot. Bonds4

About 2-methyl-3-(2,3,4-trifluoroanilino)propanamide

2-methyl-3-(2,3,4-trifluoroanilino)propanamide (PubChem CID 43312047) has the molecular formula C10H11F3N2O and a molecular weight of 232.20 g/mol. Its IUPAC name is 2-methyl-3-(2,3,4-trifluoroanilino)propanamide.

Molecular Properties

Compound Name2-methyl-3-(2,3,4-trifluoroanilino)propanamide
PubChem CID43312047
Molecular FormulaC10H11F3N2O
Molecular Weight232.20 g/mol
Exact Mass232.08
IUPAC Name2-methyl-3-(2,3,4-trifluoroanilino)propanamide
SMILESCC(CNc1ccc(F)c(F)c1F)C(N)=O
InChIInChI=1S/C10H11F3N2O/c1-5(10(14)16)4-15-7-3-2-6(11)8(12)9(7)13/h2-3,5,15H,4H2,1H3,(H2,14,16)
InChIKeyNPWIUKOYFYBAMJ-UHFFFAOYSA-N
XLogP1.64
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.20
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2-amino-3-(2,3,4-trifluoroanilino)propanamide
CID 103232798
3-(2,6-difluoroanilino)-2-methylpropanamide
CID 43312157
3-(2-bromo-5-chloroanilino)-2-methylpropanamide
CID 81280704
3-[4-bromo-2-(trifluoromethyl)anilino]-2-methylpropanamide
CID 60790963
[(2S)-1-amino-1-oxopropan-2-yl]-methyl-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]azanium
CID 9197525
3-[4-bromo-2-(trifluoromethoxy)anilino]-2-methylpropanamide
CID 103193128
N-methyl-2-(2,3,4-trifluoroanilino)acetamide
CID 28574383
2-amino-4-methyl-N-(2,3,4-trifluorophenyl)pentanamide
CID 24697513
1-propan-2-yl-3-(2,3,4-trifluorophenyl)urea
CID 47173418
3-(4-acetamidoanilino)-2-methylpropanamide
CID 43311999
3-(2-methylpropylamino)-N-(2,3,4-trifluorophenyl)propanamide
CID 109012916
N'-propan-2-yl-N-(2,3,4-trifluorophenyl)oxamide
CID 47224066

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(2,3,4-trifluoroanilino)propanamide?
The IUPAC name of 2-methyl-3-(2,3,4-trifluoroanilino)propanamide (CID 43312047) is 2-methyl-3-(2,3,4-trifluoroanilino)propanamide.
What is the SMILES notation for 2-methyl-3-(2,3,4-trifluoroanilino)propanamide?
The canonical SMILES for 2-methyl-3-(2,3,4-trifluoroanilino)propanamide is CC(CNc1ccc(F)c(F)c1F)C(N)=O.
What is the InChIKey of 2-methyl-3-(2,3,4-trifluoroanilino)propanamide?
The InChIKey is NPWIUKOYFYBAMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2O/c1-5(10(14)16)4-15-7-3-2-6(11)8(12)9(7)13/h2-3,5,15H,4H2,1H3,(H2,14,16).
What are the key properties of 2-methyl-3-(2,3,4-trifluoroanilino)propanamide?
2-methyl-3-(2,3,4-trifluoroanilino)propanamide has a molecular weight of 232.20 g/mol, XLogP of 1.64, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(2,3,4-trifluoroanilino)propanamide is sourced from PubChem (CID 43312047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).